Structure Information
Structure

Compound Identification

SMILES

C[C@@H]1CCC2[C@@H](C)[C@@H](OCCN3CCN(CC3)C(=O)CCC(=O)O[C@@H]3O[C@@H]4O[C@@]5(C)CCC6[C@H](C)CCC([C@H]3C)[C@@]46OO5)O[C@@H]3O[C@@]4(C)CCC1[C@@]23OO4

InChIKey

InChIKey=GORNUGLUVWBFHB-ZNKJAGGDSA-N

Formula

C40H62N2O12

Mass

762.938

Export to:

JSON SDF CSV

Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Prenol lipids

Subclass

Sesquiterpenoids

Intermediate Tree Nodes

Not available

Direct Parent

Artemisinins

Alternative Parents

Molecular Framework

Aliphatic heteropolycyclic compounds

Substituents

Artemisinin skeleton - Fatty acid ester - Oxepane - N-alkylpiperazine - 1,4-diazinane - Oxane - Piperazine - 1,2,4-trioxane - Fatty acyl - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Carboxylic acid ester - Tertiary amine - Tertiary aliphatic amine - Dialkyl peroxide - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Oxacycle - Acetal - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Amine - Organic nitrogen compound - Carbonyl group - Aliphatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as artemisinins. These are sesquiterpenoids originally isolated from the herb Artemisia annua. Their structure is based on artemisinin, a tetracyclic compound that contains a 1,2-dioxepane fused to an octahydrobenzopyran moiety. The internal peroxide bridge is believed to be a key to the mode of action of artemisinins.

External Descriptors

Not available

Previous Back Next